chempirical

Choline

C5H14NO+CAS 62-49-7104.17 g/mol

Open in Covalent MOL file
N+OH
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H14NO+
Molar mass
104.17 g/mol
Exact mass
104.1075 Da
Melting point
232–233 °C (decomposes)
Boiling point
155–230 °C
logP
-0.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
62-49-7
SMILES
C[N+](C)(C)CCO
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-
  • 2-Hydroxy-N,N,N-trimethylethanaminium
  • Bilineurine
  • (2-Hydroxyethyl)trimethylammonium
  • Choline ion
  • Choline cation
  • Nanoveson C
  • Vitamin J

Work with Choline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Choline hydroxide123-41-182 % similar Trimethyl(2-hydroxyethyl)ammonium iodide17773-10-382 % similar Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-682 % similar Choline chloride67-48-182 % similar Choline bicarbonate78-73-956 % similar Choline p-toluenesulfonate55357-38-541 % similar Choline bitartrate87-67-241 % similar Polyquaternium 175345-27-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia